BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50116891'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50116891
PNG
(CHEMBL3613037)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCOC(=O)\C=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)nn2)cc1OC(C)=O
Show InChI InChI=1S/C33H33N3O12/c1-21(37)45-28-10-6-25(18-30(28)47-23(3)39)8-12-32(41)43-16-5-15-36-20-27(34-35-36)14-17-44-33(42)13-9-26-7-11-29(46-22(2)38)31(19-26)48-24(4)40/h6-13,18-20H,5,14-17H2,1-4H3/b12-8+,13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...


Eur J Med Chem 101: 573-83 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.011
BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50116891
PNG
(CHEMBL3613037)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCOC(=O)\C=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)nn2)cc1OC(C)=O
Show InChI InChI=1S/C33H33N3O12/c1-21(37)45-28-10-6-25(18-30(28)47-23(3)39)8-12-32(41)43-16-5-15-36-20-27(34-35-36)14-17-44-33(42)13-9-26-7-11-29(46-22(2)38)31(19-26)48-24(4)40/h6-13,18-20H,5,14-17H2,1-4H3/b12-8+,13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human neutrophils assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 15 mins before A23187 and arachidon...


Eur J Med Chem 101: 573-83 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.011
BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair